%0 Journal Article %1 Xu2010 %A Xu, Tianfu %A Spycher, Nicolas %A Sonnenthal, Eric %A Zhang, Guoxiang %A Zheng, Liange %A Pruess, Karsten %D 2010 %J Computers & Geosciences %K software chemistry geothermal 2010 flow geofluid %P - %R 10.1016/j.cageo.2010.10.007 %T TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions %U http://dx.doi.org/10.1016/j.cageo.2010.10.007 %V In Press, Corrected Proof %X TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media, and was developed by introducing reactive chemistry into the multiphase fluid and heat flow simulator TOUGH2 V2. The first version of TOUGHREACT was released to the public through the U.S. Department of Energy's Energy Science and Technology Software Center (ESTSC) in August 2004. It is among the most frequently requested of ESTSC's codes. The code has been widely used for studies in CO2 geological sequestration, nuclear waste isolation, geothermal energy development, environmental remediation, and increasingly for petroleum applications. Over the past several years, many new capabilities have been developed, which were incorporated into Version 2 of TOUGHREACT. Major additions and improvements in Version 2 are discussed here, and two application examples are presented: (1) long-term fate of injected CO2 in a storage reservoir and (2) biogeochemical cycling of metals in mining-impacted lake sediments.

@article{Xu2010, abstract = {TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media, and was developed by introducing reactive chemistry into the multiphase fluid and heat flow simulator TOUGH2 V2. The first version of TOUGHREACT was released to the public through the U.S. Department of Energy's Energy Science and Technology Software Center (ESTSC) in August 2004. It is among the most frequently requested of ESTSC's codes. The code has been widely used for studies in CO2 geological sequestration, nuclear waste isolation, geothermal energy development, environmental remediation, and increasingly for petroleum applications. Over the past several years, many new capabilities have been developed, which were incorporated into Version 2 of TOUGHREACT. Major additions and improvements in Version 2 are discussed here, and two application examples are presented: (1) long-term fate of injected CO2 in a storage reservoir and (2) biogeochemical cycling of metals in mining-impacted lake sediments.}, added-at = {2011-01-19T18:08:00.000+0100}, author = {Xu, Tianfu and Spycher, Nicolas and Sonnenthal, Eric and Zhang, Guoxiang and Zheng, Liange and Pruess, Karsten}, biburl = {https://www.bibsonomy.org/bibtex/2a382e7c863e37d17a123a9286c59a507/thorade}, description = {ScienceDirect - Computers & Geosciences : TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions}, doi = {10.1016/j.cageo.2010.10.007}, interhash = {a654bbdb4fc06fd007ba1622032cc610}, intrahash = {a382e7c863e37d17a123a9286c59a507}, issn = {0098-3004}, journal = {Computers \& Geosciences}, keywords = {software chemistry geothermal 2010 flow geofluid}, pages = { - }, timestamp = {2011-01-19T18:08:01.000+0100}, title = {TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions}, url = {http://dx.doi.org/10.1016/j.cageo.2010.10.007}, volume = {In Press, Corrected Proof}, year = 2010 }